[(Z)-[3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-benzothiazol-2-ylidene]amino] prop-2-ynyl carbonate
Formula:C15H16N2O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-benzothiazol-2-ylidene]amino] prop-2-ynyl carbonate is a drug-like molecule.
| MolName | [(Z)-[3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-benzothiazol-2-ylidene]amino] prop-2-ynyl carbonate |
| MolecularFormula | C15H16N2O4S2 |
| Smiles | C#CCOC(O/N=C1\Sc(cccc2)c2N1CCSCCO)=O |
| InChI | InChI=1S/C15H16N2O4S2/c1-2-9-20-15(19)21-16-14-17(7-10-22-11-8-18)12-5-3-4-6-13(12)23-14/h1,3-6,18H,7-11H2 |
| InChIK | RYGHDHLOLOTFKZ-UHFFFAOYSA-N |
| TotalMolweight | 352.434 |
| Molweight | 352.434 |
| MonoisotopicMass | 352.055148 |
| CLogP | 2.2605 |
| CLogS | -4.993 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 264.72 |
| Relative PSA | 0.36333 |
| PolarSurfaceArea | 121.96 |
| Druglikeness | -4.535 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| StereoCon |
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1 - [(Z)-[3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-benzothiazol-2-ylidene]amino] prop-2-ynyl carbonate | 2 - [(Z)-[3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-benzothiazol-2-ylidene]amino] prop-2-ynyl carbonate
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